Sugi Predict

Sugi Predict / Compounds / Pyridine

Pyridine

Pyridine

SCHEMBL5794486

COc1cc2c(-c3cc4c(Cl)ccnc4[nH]3)cn(CCN3CCC(CCO)CC3)c2cc1OC.c1ccncc1

nearest known ligand 0.40

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Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 1/20 0.40
▸ CDK9 P50750 14/20 0.38
▸ CASP3 P42574 2/20 0.38
▸ CASP7 P55210 2/20 0.38
▸ CCNT1 O60563 12/20 0.36
▸ ACHE P22303 5/20 0.35
▸ BCHE P06276 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1748945 0.96 IGF1R (0.41) IGF1RCDK9CASP3CASP7CCNT1
SCHEMBL1748485 0.84 IGF1R (0.59) IGF1RCDK9CASP3CASP7CCNT1
SCHEMBL1748870 0.83 IGF1R (0.46) IGF1RCDK9CASP3CASP7CCNT1
SCHEMBL1748609 0.82 CDK9 (0.47) IGF1RCDK9CASP3CASP7CCNT1
SCHEMBL2982628 0.81 CDK9 (0.38) IGF1RCDK9CASP3CASP7CCNT1
Pyridine SCHEMBL5795805 0.77 IGF1R (0.51) IGF1R
SCHEMBL2998043 0.76 CDK9 (0.38) IGF1RCDK9CASP3CASP7CCNT1
SCHEMBL1748897 0.74 IGF1R (0.65) IGF1RCDK9CASP3CASP7CCNT1
SCHEMBL1748699 0.74 TP53 (0.36) —
SCHEMBL27714235 0.74 CDK9 (0.36) IGF1RCDK9CASP3CASP7CCNT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732546-A2 NOVEL PYRROLO (2,3-B)PYRIDINE DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF IN THE FORM OF KINASE INHIBITORS Aventis Pharma S.A. (FR) 2006-12-20 — — EP disclosed
WO-2005095399-A2 NOVEL PYRROLO (2,3-B)PYRIDINE DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF IN THE FORM OF KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2005-10-13 — — WO disclosed